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Title: | Structure analysis of montmorillonite intercalated with cetylpyridinium and cetyltrimethylammonium: Molecular simulations and XRD analysis | ||||||||||
Author: | Pospíšil, Miroslav; Čapková, Pavla; Měřínská, Dagmar; Maláč, Zdeněk; Šimoník, Josef | ||||||||||
Document type: | Peer-reviewed article (English) | ||||||||||
Source document: | Journal of Colloid and Interface Science. 2001, vol. 236, issue 1, p. 127-131 | ||||||||||
ISSN: | 0021-9797 (Sherpa/RoMEO, JCR) | ||||||||||
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DOI: | https://doi.org/10.1006/jcis.2000.7360 | ||||||||||
Abstract: | Molecular mechanics and molecular dynamics simulations combined with X-ray powder diffraction were used in srtucture investigation of montmorillonite intercalated with cetylpyridinium(CP) and cetyltrimetylammonium (CTA) cations. Molecular modeling revealed the interlayer strusture and differences in intercalation behavior of CP and CTA cations in montmorillonite. The experimental and calculated values of basal spacing were in good agreement for both intercalates: in the case of CP-montmorillonite d(exp) = 20.59 A, d(calc) = 20,60A | ||||||||||
Full text: | https://www.sciencedirect.com/science/article/pii/S0021979700973600 | ||||||||||
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